Vitas-M small molecule compound
2-chloro-6-methoxy-4-[(E)-{2-[(3-nitrophenyl)carbonyl]hydrazinylidene}methyl]phenyl benzenesulfonate
Catalog ID
STK899265
SMILES COc1cc(/C=N/NC(=O)c2cccc(c2)[N+](=O)[O-])cc(c1OS(=O)(=O)c1ccccc1)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H16ClN3O7S MW 489.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O7S/c1-31-19-11-14(13-23-24-21(26)15-6-5-7-16(12-15)25(27)28)10-18(22)20(19)32-33(29,30)17-8-3-2-4-9-17/h2-13H,1H3,(H,24,26)/b23-13+InChIKey
IHCOEJMILXHTFZ-YDZHTSKRSA-NSynonyms
402722-15-0(2chloro6methoxy4((E)((3nitrobenzoyl)hydrazinylidene)methyl)phenyl)benzenesulfonate
2chloro6methoxy4((E)(2((3nitrophenyl)carbonyl)hydrazinylidene)methyl)phenylbenzenesulfonate
402722150
COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)(N+)(=O)(O))Cl)OS(=O)(=O)C3=CC=CC=C3
COc1cc(C=NNC(=O)c2cccc(c2)(N+)(=O)(O))cc(c1OS(=O)(=O)c1ccccc1)Cl
InChI=1SC21H16ClN3O7Sc131191114(13232421(26)1565716(1215)25(27)28)1018(22)20(19)3233(2930)178324917h213H1H3(H2426)b2313+
MFCD02604842
ZINC000002727008
ZINC33397618
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